LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task

units		lj
atom_style  charge

read_data data.cloud_wall
  orthogonal box = (0 0 0) to (10 10 10)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  300 atoms

velocity	all set 0.0 0.0 0.0 mom no

pair_style	zero 1.0
pair_coeff	* *

neighbor	1.0 bin
neigh_modify	delay 0

fix     1 all nve
kspace_style scafacos p3m  0.001
kspace_modify scafacos tolerance field

timestep	0.005

thermo_style custom step atoms cpu temp pe ke etotal ecoul press

run_style verlet

#dump simple all custom 1000 id x y z vx vy vz
#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
#dump_modify dmpvtk pad 7

thermo 10
run	100
Setting up ScaFaCoS with solver p3m ...
WARNING: Virial computation for P3M not available (src/USER-SCAFACOS/scafacos.cpp:104)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2
  ghost atom cutoff = 2
  binsize = 1, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair zero, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.34 | 3.34 | 3.34 Mbytes
Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
       0      300            0            0   0.49619864            0   0.49619864            0            0 
      10      300  0.018853664  0.015458704   0.47310664  0.023110763    0.4962174            0 0.0046221526 
      20      300  0.037713289  0.062303961   0.40312435  0.093144421   0.49626877            0  0.018628884 
      30      300  0.055995226   0.14313464   0.28239193   0.21398628   0.49637821            0  0.042797257 
      40      300  0.074442625   0.53306643  0.089950137   0.79693431   0.88688444            0   0.15938686 
      50      300  0.093066454    1.1925037  -0.08272797    1.7827931    1.7000651            0   0.35655861 
      60      300   0.11158967    1.3890617  -0.37645444    2.0766472    1.7001927            0   0.41532944 
      70      300    0.1300416    1.7033725  -0.84587122    2.5465418    1.7006706            0   0.50930837 
      80      300   0.14844203    15.906218   -3.3586154    23.779796    20.421181            0    4.7559592 
      90      300    0.1676445    42.749883   -2.2769116    63.911076    61.634164            0    12.782215 
     100      300    0.1866703     42.25523  -0.84978755    63.171569    62.321782            0    12.634314 
Loop time of 0.186683 on 1 procs for 100 steps with 300 atoms

Performance: 231408.103 tau/day, 535.667 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.7657e-05 | 2.7657e-05 | 2.7657e-05 |   0.0 |  0.01
Kspace  | 0.18368    | 0.18368    | 0.18368    |   0.0 | 98.39
Neigh   | 0.0020967  | 0.0020967  | 0.0020967  |   0.0 |  1.12
Comm    | 0.00027132 | 0.00027132 | 0.00027132 |   0.0 |  0.15
Output  | 0.00013709 | 0.00013709 | 0.00013709 |   0.0 |  0.07
Modify  | 0.0002718  | 0.0002718  | 0.0002718  |   0.0 |  0.15
Other   |            | 0.0001974  |            |       |  0.11

Nlocal:    300 ave 300 max 300 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    374 ave 374 max 374 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    2478 ave 2478 max 2478 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2478
Ave neighs/atom = 8.26
Neighbor list builds = 15
Dangerous builds = 0
Total wall time: 0:00:00
